2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid

C13H24N2O4 — CID 55076340

IUPAC2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCCCN(C(=O)NC(CCOC)C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O4/c1-3-4-8-15(10-5-6-10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKIFSHNKMQNXWGG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds9

About 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 55076340) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID55076340
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCCCN(C(=O)NC(CCOC)C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O4/c1-3-4-8-15(10-5-6-10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKIFSHNKMQNXWGG-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305201
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid (CID 55076340) is 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid is CCCCN(C(=O)NC(CCOC)C(=O)O)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is KIFSHNKMQNXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-8-15(10-5-6-10)13(18)14-11(12(16)17)7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 55076340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).